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Diisopropyl diazene-1,2-dicarboxylate → 5-chloro-N2-(2-methoxy-4-(1-methyl-1H-tetrazol-5-yl)phenyl)-N4-methylpyrimidine-2,4-diamine

HRID 1630350
ノート
印刷プレビュー

反応式

HRID 1630350 の反応式
[Cl:1][C:2]1[C:3]([NH:21][CH3:22])=[N:4][C:5]([NH:8][C:9]2[CH:18]=[CH:17][C:12]([C:13]([NH:15][CH3:16])=O)=[CH:11][C:10]=2[O:19][CH3:20])=[N:6][CH:7]=1.N1C=CC=CC=1P(C1C=CC=CC=1)C1C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O.C1(P([N:70]=[N+:71]=[N-:72])(C2C=CC=CC=2)=O)C=CC=CC=1>C(OCC)(=O)C>[Cl:1][C:2]1[C:3]([NH:21][CH3:22])=[N:4][C:5]([NH:8][C:9]2[CH:18]=[CH:17][C:12]([C:13]3[N:15]([CH3:16])[N:72]=[N:71][N:70]=3)=[CH:11][C:10]=2[O:19][CH3:20])=[N:6][CH:7]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 199401P,P-Diphenylphosphinic azideHCID 6218932-PyridyldiphenylphosphineHCID 547560294-(5-Chloro-4-(methylamino)pyrimidin-2-ylamino)-3-methoxy-N-methylbenzamide

生成物 1

HCID 715770595-chloro-N2-(2-methoxy-4-(1-methyl-1H-tetrazol-5-yl)phenyl)-N4-methylpyrimidine-2,4-diamine収率 38%

試薬・触媒・溶媒 1

HCID 8857Ethyl Acetate溶媒

反応条件

温度
45 °C

実験手順

A mixture of 4-(5-chloro-4-(methylamino)pyrimidin-2-ylamino)-3-methoxy-N-methylbenzamide (112 mg, 0.35 mmol) and 2-pyridyl diphenylphosphine (373 mg, 1.42 mmol) was flushed with N2 for 10 min Anhydrous THF (2 mL) was added followed by dropwise addition of diisopropyl azodicarboxylate (0.28 mL, 1.42 mmol). Diphenylphosphoryl azide (0.31 mL, 1.42 mmol) was added dropwise over 5 min. The mixture was heated at 45° C. under N2 for 18 h. The mixture was diluted with ethyl acetate (20 mL) and washed with saturated sodium hydrogen carbonate solution (2×10 mL). The combined aqueous washes were back-extracted with ethyl acetate (10 mL), and the combined organic extracts filtered through a hydrophobic frit and evaporated. Purification of the residue via silica gel column chromatography (0-100% ethyl acetate/isohexane) followed by trituration with diethyl ether gave 5-chloro-N2-(2-methoxy-4-(1-methyl-1H-tetrazol-5-yl)phenyl)-N4-methylpyrimidine-2,4-diamine as a white solid (45 mg, 38%). LCMS (10 cm_ESCI_Bicarb_MeCN): [MH+]=347 at 2.67 min. 1H NMR (400 MHz, CDCl3): δ 8.76 (d, J=8.5, 1H); 7.96 (s, 1H); 7.75 (s, 1H); 7.40 (d, J=1.9, 1H); 7.3 (d, J=2.0, 1H); 5.35 (s, 1H); 4.21 (s, 3H); 4.00 (s, 3H); 3.13 (d, J=4.9, 3H).

後処理

  1. customwas flushed with N2 for 10 min Anhydrous THF (2 mL)
  2. additionwas added
  3. washwashed with saturated sodium hydrogen carbonate solution (2×10 mL)
  4. extractionThe combined aqueous washes were back-extracted with ethyl acetate (10 mL)
  5. filtrationthe combined organic extracts filtered through a hydrophobic frit
  6. customevaporated
  7. customPurification of the residue via silica gel column chromatography (0-100% ethyl acetate/isohexane)

出典と根拠

ORDレコード
ord-b074dd92461544348183ccc343daf817
出典データセット
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08791130B2

反応ノート

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